4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-(2-methoxyphenoxy)-5-nitro-pyrimidine

Systemtic Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-(2-methoxyphenoxy)-5-nitro-pyrimidine Openeye Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-(2-methoxyphenoxy)-5-nitro-pyrimidine CAS Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-6-(2-methoxyphenoxy)-5-nitropyrimidine IUPAC Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-(2-methoxyphenoxy)-5-nitropyrimidine Traditional Name: 4-(2-methoxyphenoxy)-5-nitro-6-(4-piperonylpiperazino)pyrimidine Formula: C23H23N5O6 MolecularWeight: 465.45862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1OC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC1=CC=CC=C1OC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H23N5O6/c1-31-17-4-2-3-5-19(17)34-23-21(28(29)30)22(24-14-25-23)27-10-8-26(9-11-27)13-16-6-7-18-20(12-16)33-15-32-18/h2-7,12,14H,8-11,13,15H2,1H3